2-[4-oxidanylidene-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-benzylpiperazin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(4-benzylpiperazino)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H23N5O/c23-10-11-27-21(24-20-9-5-4-8-19(20)22(27)28)17-26-14-12-25(13-15-26)16-18-6-2-1-3-7-18/h1-9H,11-17H2